2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
Basic information
- CAS
91485-64-2- Standard SMILES
Cc1c(C=O)n(C)n(-c2ccccc2)c1=O- InChIKey
ZKLPJDPHUWEVGT-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 2,4-Dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
- IUPAC
- 2,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde
Names & synonyms
91485-64-22,4-dimethyl-5-oxo-1-phenylpyrazole-3-carbaldehyde2,4-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1h-pyrazole-3-carbaldehydeMLS001017767CHEMBL1420355DTXSID80368473HMS2616P03AKOS030751149SMR000353980CS-0220294SR-01000047003SR-01000047003-1
Show more names
2,4-dimethyl-5-oxo-1-phenyl-pyrazole-3-carbaldehydeZ56943807
Database identifiers
- CAS
91485-64-2- PubChem CID
- 2394060
- DTXSID
DTXSID80368473- ChEMBL
CHEMBL1420355
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 40.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
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Compound notes
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